| SpectraBase Spectrum ID |
KEQkbVTvrH9 |
| Name |
1(10)E-3Z-(5R,7S,8S)-14-Acetyloxy-5-hydroxy-15-isovaleroyloxygermacra-1(10),3,11(13)-trien-8,12-olide |
| Appearance |
gum |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H30O7 |
| InChI |
InChI=1S/C22H30O7/c1-13(2)8-21(25)28-12-17-7-5-6-16(11-27-15(4)23)9-20-18(10-19(17)24)14(3)22(26)29-20/h6-7,13,18-20,24H,3,5,8-12H2,1-2,4H3/b16-6-,17-7-/t18-,19-,20+/m1/s1 |
| InChIKey |
OPVPNOGTBBMACR-WHVULEBUSA-N |
| Instrument Name |
Hewlett-Packard 5989A or Varian Saturn 2000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np030055p |
| Molecular Weight |
406.475 g/mol |
| Optical Rotation |
[a]D26 = +58 (c = 0.24, CHCl3) (589 nm) |
| Reported Formula |
C22H30O7 |
| SMILES |
O[C@@]1(C[C@]2([C@](C\C(=C\C\C=C/1COC(CC(C)C)=O)COC(C)=O)(OC(C2=C)=O)[H])[H])[H] |
| SPLASH |
splash10-052f-9550000000-dd69f5a7a8d060d189f2 |
| Source of Spectrum |
G4-66-953-6 |
| Wiley ID |
1881445 |
